N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine

C58H45N — CID 170116295

About N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine

N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine (PubChem CID 170116295) has the molecular formula C58H45N and a molecular weight of 756.01 g/mol. Its IUPAC name is N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
• PubChem CID: 170116295
• Molecular Formula: C58H45N
• Molecular Weight: 756.01 g/mol
• Exact Mass: 755.36
• IUPAC Name: N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
• SMILES: c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2cccc(-c3ccc4ccccc4c3)c2)c2ccc3c(c2)C2(CCCCC2)c2ccccc2-3)cc1
• InChI: InChI=1S/C58H45N/c1-3-19-42(20-4-1)48-24-7-8-25-49(48)50-26-9-10-27-51(50)54-29-12-14-31-57(54)59(46-23-17-22-44(39-46)45-33-32-41-18-5-6-21-43(41)38-45)47-34-35-53-52-28-11-13-30-55(52)58(56(53)40-47)36-15-2-16-37-58/h1,3-14,17-35,38-40H,2,15-16,36-37H2
• InChIKey: UGMIWAWEXXQQJW-UHFFFAOYSA-N
• XLogP: 16.21
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.01
LogP ≤ 5	16.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine?

The IUPAC name of N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine (CID 170116295) is N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine.

What is the SMILES notation for N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine?

The canonical SMILES for N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2cccc(-c3ccc4ccccc4c3)c2)c2ccc3c(c2)C2(CCCCC2)c2ccccc2-3)cc1.

What is the InChIKey of N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine?

The InChIKey is UGMIWAWEXXQQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H45N/c1-3-19-42(20-4-1)48-24-7-8-25-49(48)50-26-9-10-27-51(50)54-29-12-14-31-57(54)59(46-23-17-22-44(39-46)45-33-32-41-18-5-6-21-43(41)38-45)47-34-35-53-52-28-11-13-30-55(52)58(56(53)40-47)36-15-2-16-37-58/h1,3-14,17-35,38-40H,2,15-16,36-37H2.

What are the key properties of N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine?

N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine has a molecular weight of 756.01 g/mol, XLogP of 16.21, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine is sourced from PubChem (CID 170116295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).